(6-chloranylpyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C25H22ClN5O MolecularWeight: 443.92808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN5O/c26-22-12-11-19(17-27-22)25(32)31-14-6-13-30(15-16-31)24-23(18-7-2-1-3-8-18)28-20-9-4-5-10-21(20)29-24/h1-5,7-12,17H,6,13-16H2