N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-butanamide

Systemtic Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-butanamide Openeye Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-butanamide CAS Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide IUPAC Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenylbutanamide Traditional Name: N-[6-[4-(3-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-butyramide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O3/c1-2-25(22-9-4-3-5-10-22)27(33)29-23-12-13-26(28-19-23)31-15-7-14-30(16-17-31)20-21-8-6-11-24(18-21)32(34)35/h3-6,8-13,18-19,25H,2,7,14-17,20H2,1H3,(H,29,33)