2-[4-[2-(2-cyanoethanoylamino)-3-(4-fluorophenyl)propanoyl]-3-cyclopropyl-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-N-propan-2-yl-propanamide

Systemtic Name: 2-[4-[2-(2-cyanoethanoylamino)-3-(4-fluorophenyl)propanoyl]-3-cyclopropyl-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-N-propan-2-yl-propanamide Openeye Name: 2-[4-[2-[(2-cyanoacetyl)amino]-3-(4-fluorophenyl)propanoyl]-3-cyclopropyl-3-methyl-2-oxo-piperazin-1-yl]-N-isopropyl-3-(2-naphthyl)propanamide CAS Name: 2-[4-[2-[(2-cyano-1-oxoethyl)amino]-3-(4-fluorophenyl)-1-oxopropyl]-3-cyclopropyl-3-methyl-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)-N-propan-2-ylpropanamide IUPAC Name: 2-[4-[2-[(2-cyanoacetyl)amino]-3-(4-fluorophenyl)propanoyl]-3-cyclopropyl-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-yl-N-propan-2-ylpropanamide Traditional Name: 2-[4-[2-[(2-cyanoacetyl)amino]-3-(4-fluorophenyl)propanoyl]-3-cyclopropyl-2-keto-3-methyl-piperazino]-N-isopropyl-3-(2-naphthyl)propionamide Formula: C36H40FN5O4 MolecularWeight: 625.732303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3=O)(C)C4CC4)C(=O)C(CC5=CC=C(C=C5)F)NC(=O)CC#N

Isomeric SMILES

CC(C)NC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3=O)(C)C4CC4)C(=O)C(CC5=CC=C(C=C5)F)NC(=O)CC#N

InChI

InChI=1S/C36H40FN5O4/c1-23(2)39-33(44)31(22-25-8-11-26-6-4-5-7-27(26)20-25)41-18-19-42(36(3,35(41)46)28-12-13-28)34(45)30(40-32(43)16-17-38)21-24-9-14-29(37)15-10-24/h4-11,14-15,20,23,28,30-31H,12-13,16,18-19,21-22H2,1-3H3,(H,39,44)(H,40,43)