7-chloranyl-3-(isoquinolin-3-ylmethyl)-1-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-(isoquinolin-3-ylmethyl)-1-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-(3-isoquinolylmethyl)-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-(3-isoquinolinylmethyl)-1-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-(isoquinolin-3-ylmethyl)-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-(3-isoquinolylmethyl)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C26H20ClN3O2 MolecularWeight: 441.9089

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C26H20ClN3O2/c1-30-24-11-8-19(27)13-22(24)25(16-6-9-21(31)10-7-16)29-23(26(30)32)14-20-12-17-4-2-3-5-18(17)15-28-20/h2-13,15,23,29H,14H2,1H3