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

Systemtic Name: (3-phenylcinnolin-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-phenylcinnolin-4-yl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-phenyl-4-cinnolinyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-phenylcinnolin-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-phenylcinnolin-4-yl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C26H25N5O MolecularWeight: 423.5096

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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O/c32-26(31-15-7-14-30(16-17-31)19-20-8-6-13-27-18-20)24-22-11-4-5-12-23(22)28-29-25(24)21-9-2-1-3-10-21/h1-6,8-13,18H,7,14-17,19H2