1-[5,9-dimethyl-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-6H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5,9-dimethyl-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-6H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-6H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5,9-dimethyl-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-6H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-6H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)-5,9-dimethyl-6H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=NC(=C3CC=CC(=C3N(C2=O)CC(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=NC(=C3CC=CC(=C3N(C2=O)CC(=O)N4CCCC4)C)C

InChI

InChI=1S/C25H29N5O3/c1-16-8-6-10-19(14-16)27-25(33)28-23-24(32)30(15-21(31)29-12-4-5-13-29)22-17(2)9-7-11-20(22)18(3)26-23/h6-10,14H,4-5,11-13,15H2,1-3H3,(H2,26,27,28,33)