1-[(3R)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-piperidinophenyl)urea Formula: C33H37N5O3 MolecularWeight: 551.67858

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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=C5

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=C5

InChI

InChI=1S/C33H37N5O3/c1-33(2,3)28(39)22-38-27-18-9-8-17-26(27)29(23-13-6-4-7-14-23)35-30(31(38)40)36-32(41)34-24-15-12-16-25(21-24)37-19-10-5-11-20-37/h4,6-9,12-18,21,30H,5,10-11,19-20,22H2,1-3H3,(H2,34,36,41)/t30-/m0/s1