1-[(3R)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-piperidin-1-ylphenyl)urea

Systemtic Name: 1-[(3R)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-piperidin-1-ylphenyl)urea Openeye Name: 1-[(3R)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-[3-(1-piperidyl)phenyl]urea CAS Name: 1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-3-[3-(1-piperidinyl)phenyl]urea IUPAC Name: 1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-piperidin-1-ylphenyl)urea Traditional Name: 1-[(3R)-2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-piperidinophenyl)urea Formula: C32H36N6O3 MolecularWeight: 552.66664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)N4CCCCC4)C5=CC=CC=N5

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)N4CCCCC4)C5=CC=CC=N5

InChI

InChI=1S/C32H36N6O3/c1-32(2,3)27(39)21-38-26-16-6-5-14-24(26)28(25-15-7-8-17-33-25)35-29(30(38)40)36-31(41)34-22-12-11-13-23(20-22)37-18-9-4-10-19-37/h5-8,11-17,20,29H,4,9-10,18-19,21H2,1-3H3,(H2,34,36,41)/t29-/m0/s1