3-[7-(2-methoxyethoxy)-2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(2-methoxyethoxy)-2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-(2-methoxyethoxy)-2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-(2-methoxyethoxy)-2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-(2-methoxyethoxy)-2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-7-(2-methoxyethoxy)-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N)N4C=CC=C4

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N)N4C=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-29-9-10-30-22-13-20-19(12-21(22)27-7-2-3-8-27)26-23(28)14-18(25-20)17-6-4-5-16(11-17)15-24/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)