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

Systemtic Name: N-[[3-[3-azanyl-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-azanylcyclohexyl)cyclopropanecarboxamide Openeye Name: N-[[3-[3-amino-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)cyclopropanecarboxamide CAS Name: N-[[3-[3-amino-4-(1-azepanyl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)cyclopropanecarboxamide IUPAC Name: N-[[3-[3-amino-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)cyclopropanecarboxamide Traditional Name: N-[3-[3-amino-4-(azepan-1-yl)phenyl]benzyl]-N-(4-aminocyclohexyl)cyclopropanecarboxamide Formula: C29H40N4O MolecularWeight: 460.6541

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

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)N

InChI

InChI=1S/C29H40N4O/c30-25-11-13-26(14-12-25)33(29(34)22-8-9-22)20-21-6-5-7-23(18-21)24-10-15-28(27(31)19-24)32-16-3-1-2-4-17-32/h5-7,10,15,18-19,22,25-26H,1-4,8-9,11-14,16-17,20,30-31H2