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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

InChI

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