3-[1-[6-(2-ethyl-1-methyl-indol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one

Systemtic Name: 3-[1-[6-(2-ethyl-1-methyl-indol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 3-[1-[6-(2-ethyl-1-methyl-indole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 3-[1-[6-[(2-ethyl-1-methyl-3-indolyl)-oxomethyl]-4-pyrimidinyl]-4-piperidinyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 3-[1-[6-(2-ethyl-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 3-[1-[6-(2-ethyl-1-methyl-indole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Formula: C31H34N6O3 MolecularWeight: 538.64006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1C)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CCC6=C(C=CC(=C6)OC)NC5=O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1C)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CCC6=C(C=CC(=C6)OC)NC5=O

InChI

InChI=1S/C31H34N6O3/c1-4-26-29(23-7-5-6-8-27(23)35(26)2)30(38)25-18-28(33-19-32-25)36-14-12-21(13-15-36)37-16-11-20-17-22(40-3)9-10-24(20)34-31(37)39/h5-10,17-19,21H,4,11-16H2,1-3H3,(H,34,39)