4-[3-(6-methylpyridin-3-yl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(6-methylpyridin-3-yl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(6-methyl-3-pyridyl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(6-methyl-3-pyridinyl)phenyl]-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(6-methylpyridin-3-yl)phenyl]-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(6-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=NC=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)N5C=CC=C5)NC(=O)C3

Isomeric SMILES

CC1=NC=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)N5C=CC=C5)NC(=O)C3

InChI

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