3-[1-[6-(1-benzothiophen-3-ylcarbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one

Systemtic Name: 3-[1-[6-(1-benzothiophen-3-ylcarbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 3-[1-[6-(benzothiophene-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 3-[1-[6-[1-benzothiophen-3-yl(oxo)methyl]-4-pyrimidinyl]-4-piperidinyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 3-[1-[6-(1-benzothiophene-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 3-[1-[6-(benzothiophene-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Formula: C28H27N5O3S MolecularWeight: 513.61068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)N(CC2)C3CCN(CC3)C4=NC=NC(=C4)C(=O)C5=CSC6=CC=CC=C65

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)N(CC2)C3CCN(CC3)C4=NC=NC(=C4)C(=O)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C28H27N5O3S/c1-36-20-6-7-23-18(14-20)8-13-33(28(35)31-23)19-9-11-32(12-10-19)26-15-24(29-17-30-26)27(34)22-16-37-25-5-3-2-4-21(22)25/h2-7,14-17,19H,8-13H2,1H3,(H,31,35)