3-[4-(azepan-1-yl)-3-nitro-phenyl]-3-(2-naphthalen-1-ylethanoylamino)propanamide

Systemtic Name: 3-[4-(azepan-1-yl)-3-nitro-phenyl]-3-(2-naphthalen-1-ylethanoylamino)propanamide Openeye Name: 3-[4-(azepan-1-yl)-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propanamide CAS Name: 3-[4-(1-azepanyl)-3-nitrophenyl]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide IUPAC Name: 3-[4-(azepan-1-yl)-3-nitrophenyl]-3-[(2-naphthalen-1-ylacetyl)amino]propanamide Traditional Name: 3-[4-(azepan-1-yl)-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propionamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O4/c28-26(32)18-23(29-27(33)17-20-10-7-9-19-8-3-4-11-22(19)20)21-12-13-24(25(16-21)31(34)35)30-14-5-1-2-6-15-30/h3-4,7-13,16,23H,1-2,5-6,14-15,17-18H2,(H2,28,32)(H,29,33)