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

Systemtic Name: 3-[1-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 3-[1-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 3-[1-[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-pyrimidinyl]-4-piperidinyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 3-[1-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 3-[1-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Formula: C29H32N6O3 MolecularWeight: 512.60278

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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)N5CCC6=CC=CC=C6C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)N(CC2)C3CCN(CC3)C4=NC=NC(=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H32N6O3/c1-38-24-6-7-25-21(16-24)9-15-35(29(37)32-25)23-10-13-33(14-11-23)27-17-26(30-19-31-27)28(36)34-12-8-20-4-2-3-5-22(20)18-34/h2-7,16-17,19,23H,8-15,18H2,1H3,(H,32,37)