3-[1-[6-(1-methylindol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one

Systemtic Name: 3-[1-[6-(1-methylindol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 3-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 3-[1-[6-[(1-methyl-3-indolyl)-oxomethyl]-4-pyrimidinyl]-4-piperidinyl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 3-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 3-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C28H28N6O2/c1-32-17-22(21-7-3-5-9-25(21)32)27(35)24-16-26(30-18-29-24)33-13-11-20(12-14-33)34-15-10-19-6-2-4-8-23(19)31-28(34)36/h2-9,16-18,20H,10-15H2,1H3,(H,31,36)