(6-chloranyl-4H-chromen-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (6-chloranyl-4H-chromen-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (6-chloro-4H-chromen-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (6-chloro-4H-1-benzopyran-3-yl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (6-chloro-4H-chromen-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (6-chloro-4H-chromen-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C29H25ClN4O2 MolecularWeight: 496.9874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=COC3=C(C2)C=C(C=C3)Cl)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=COC3=C(C2)C=C(C=C3)Cl)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

InChI

InChI=1S/C29H25ClN4O2/c30-23-11-12-26-21(18-23)17-22(19-36-26)29(35)34-14-6-13-33(15-16-34)28-27(20-7-2-1-3-8-20)31-24-9-4-5-10-25(24)32-28/h1-5,7-12,18-19H,6,13-17H2