2-azanyl-N-[3-(4-fluorophenyl)-1-[2-(methoxymethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

Systemtic Name: 2-azanyl-N-[3-(4-fluorophenyl)-1-[2-(methoxymethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide Openeye Name: 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-[2-(methoxymethyl)-4-[2-(methylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-amino-N-[3-(4-fluorophenyl)-1-[2-(methoxymethyl)-4-[1-(methylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-piperazinyl]-1-oxopropan-2-yl]-2-methylpropanamide IUPAC Name: 2-amino-N-[3-(4-fluorophenyl)-1-[2-(methoxymethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide Traditional Name: 2-amino-N-[1-(4-fluorobenzyl)-2-keto-2-[4-[2-keto-2-(methylamino)-1-(2-naphthylmethyl)ethyl]-2-(methoxymethyl)piperazino]ethyl]-2-methyl-propionamide Formula: C33H42FN5O4 MolecularWeight: 591.716083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)N2CCN(CC2COC)C(CC3=CC4=CC=CC=C4C=C3)C(=O)NC)N

Isomeric SMILES

CC(C)(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)N2CCN(CC2COC)C(CC3=CC4=CC=CC=C4C=C3)C(=O)NC)N

InChI

InChI=1S/C33H42FN5O4/c1-33(2,35)32(42)37-28(18-22-10-13-26(34)14-11-22)31(41)39-16-15-38(20-27(39)21-43-4)29(30(40)36-3)19-23-9-12-24-7-5-6-8-25(24)17-23/h5-14,17,27-29H,15-16,18-21,35H2,1-4H3,(H,36,40)(H,37,42)