4-(2-oxidanylidene-5-phenethyl-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]butanamide

Systemtic Name: 4-(2-oxidanylidene-5-phenethyl-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]butanamide Openeye Name: 4-(2-oxo-5-phenethyl-3H-1,4-benzodiazepin-1-yl)-N-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]butanamide CAS Name: 4-(2-oxo-5-phenethyl-3H-1,4-benzodiazepin-1-yl)-N-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]butanamide IUPAC Name: 4-(2-oxo-5-phenethyl-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]butanamide Traditional Name: 4-(2-keto-5-phenethyl-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidinopiperidino)phenyl]butyramide Formula: C37H45N5O2 MolecularWeight: 591.7855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCN4C(=O)CN=C(C5=CC=CC=C54)CCC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCN4C(=O)CN=C(C5=CC=CC=C54)CCC6=CC=CC=C6

InChI

InChI=1S/C37H45N5O2/c43-36(39-30-16-18-31(19-17-30)41-26-21-32(22-27-41)40-23-7-2-8-24-40)14-9-25-42-35-13-6-5-12-33(35)34(38-28-37(42)44)20-15-29-10-3-1-4-11-29/h1,3-6,10-13,16-19,32H,2,7-9,14-15,20-28H2,(H,39,43)