4-(2-pyridin-4-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(2-pyridin-4-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(4-pyridyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-(2-pyridin-4-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(2-pyridin-4-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-pyridyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2NC1=C3C=CC(=O)C=C3)C4=CC=NC=C4

Isomeric SMILES

C1C(NC2=CC=CC=C2NC1=C3C=CC(=O)C=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H17N3O/c24-16-7-5-14(6-8-16)19-13-20(15-9-11-21-12-10-15)23-18-4-2-1-3-17(18)22-19/h1-12,20,22-23H,13H2