N-[[3-[3-azanyl-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-azanylcyclohexyl)-2-phenyl-ethanamide

Systemtic Name: N-[[3-[3-azanyl-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-azanylcyclohexyl)-2-phenyl-ethanamide Openeye Name: N-[[3-[3-amino-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)-2-phenyl-acetamide CAS Name: N-[[3-[3-amino-4-(1-azepanyl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)-2-phenylacetamide IUPAC Name: N-[[3-[3-amino-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)-2-phenylacetamide Traditional Name: N-[3-[3-amino-4-(azepan-1-yl)phenyl]benzyl]-N-(4-aminocyclohexyl)-2-phenyl-acetamide Formula: C33H42N4O MolecularWeight: 510.71278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)CC5=CC=CC=C5)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)CC5=CC=CC=C5)N

InChI

InChI=1S/C33H42N4O/c34-29-14-16-30(17-15-29)37(33(38)22-25-9-4-3-5-10-25)24-26-11-8-12-27(21-26)28-13-18-32(31(35)23-28)36-19-6-1-2-7-20-36/h3-5,8-13,18,21,23,29-30H,1-2,6-7,14-17,19-20,22,24,34-35H2