4-chloranyl-6-(7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-(7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[7-(3-pyridyl)-1,2,3,4-tetrahydro-1,4-diazepin-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[7-(3-pyridinyl)-1,2,3,4-tetrahydro-1,4-diazepin-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-(7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[7-(3-pyridyl)-1,2,3,4-tetrahydro-1,4-diazepin-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H14ClN3O MolecularWeight: 299.75486

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C=C(C=CC2=O)Cl)C=C(N1)C3=CN=CC=C3

Isomeric SMILES

C1CNC(=C2C=C(C=CC2=O)Cl)C=C(N1)C3=CN=CC=C3

InChI

InChI=1S/C16H14ClN3O/c17-12-3-4-16(21)13(8-12)15-9-14(19-6-7-20-15)11-2-1-5-18-10-11/h1-5,8-10,19-20H,6-7H2