4-[3-(2-methylpyridin-3-yl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(2-methylpyridin-3-yl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(2-methyl-3-pyridyl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(2-methyl-3-pyridinyl)phenyl]-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(2-methylpyridin-3-yl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(2-methyl-3-pyridyl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C25H20N4O MolecularWeight: 392.4525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)N5C=CC=C5)NC(=O)C3

Isomeric SMILES

CC1=C(C=CC=N1)C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)N5C=CC=C5)NC(=O)C3

InChI

InChI=1S/C25H20N4O/c1-17-21(8-5-11-26-17)18-6-4-7-19(14-18)23-16-25(30)28-24-15-20(9-10-22(24)27-23)29-12-2-3-13-29/h2-15H,16H2,1H3,(H,28,30)