N-[4-[[4-(3-phenylcinnolin-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(3-phenylcinnolin-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[oxo-(3-phenyl-4-cinnolinyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c1-21(35)30-24-14-12-22(13-15-24)20-33-16-7-17-34(19-18-33)29(36)27-25-10-5-6-11-26(25)31-32-28(27)23-8-3-2-4-9-23/h2-6,8-15H,7,16-20H2,1H3,(H,30,35)