N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C29H33FN4O4 MolecularWeight: 520.595123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H33FN4O4/c30-24-9-7-22(8-10-24)29(38)34-13-11-21(12-14-34)27(36)33-26(28(37)32-18-25(35)17-31)16-19-5-6-20-3-1-2-4-23(20)15-19/h1-10,15,21,25-26,35H,11-14,16-18,31H2,(H,32,37)(H,33,36)