(3-phenylcinnolin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-phenylcinnolin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-phenylcinnolin-4-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-phenyl-4-cinnolinyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-phenylcinnolin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-phenylcinnolin-4-yl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C25H24N4OS MolecularWeight: 428.54926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CSC=C5

InChI

InChI=1S/C25H24N4OS/c30-25(29-13-6-12-28(14-15-29)17-19-11-16-31-18-19)23-21-9-4-5-10-22(21)26-27-24(23)20-7-2-1-3-8-20/h1-5,7-11,16,18H,6,12-15,17H2