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

Systemtic Name: 3-[1-[6-(4-azanyl-3-methyl-phenoxy)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 3-[1-[6-(4-amino-3-methyl-phenoxy)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 3-[1-[6-(4-amino-3-methylphenoxy)-4-pyrimidinyl]-4-piperidinyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 3-[1-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 3-[1-[6-(4-amino-3-methyl-phenoxy)pyrimidin-4-yl]-4-piperidyl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2)N3CCC(CC3)N4CCC5=C(C=CC(=C5)OC)NC4=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2)N3CCC(CC3)N4CCC5=C(C=CC(=C5)OC)NC4=O)N

InChI

InChI=1S/C26H30N6O3/c1-17-13-21(3-5-22(17)27)35-25-15-24(28-16-29-25)31-10-8-19(9-11-31)32-12-7-18-14-20(34-2)4-6-23(18)30-26(32)33/h3-6,13-16,19H,7-12,27H2,1-2H3,(H,30,33)