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

Systemtic Name: (2-phenylquinolin-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenyl-4-quinolyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-phenyl-4-quinolinyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylquinolin-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-phenyl-4-quinolyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O/c32-27(31-15-7-14-30(16-17-31)20-21-8-6-13-28-19-21)24-18-26(22-9-2-1-3-10-22)29-25-12-5-4-11-23(24)25/h1-6,8-13,18-19H,7,14-17,20H2