N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(1-azepanyl)-3-nitrophenyl]phenyl]methyl]cyclopropanecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitrophenyl]phenyl]methyl]cyclopropanecarboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(azepan-1-yl)-3-nitro-phenyl]benzyl]cyclopropanecarboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C29H38N4O3/c30-25-11-13-26(14-12-25)32(29(34)22-8-9-22)20-21-6-5-7-23(18-21)24-10-15-27(28(19-24)33(35)36)31-16-3-1-2-4-17-31/h5-7,10,15,18-19,22,25-26H,1-4,8-9,11-14,16-17,20,30H2