1-(1-methyl-2-oxidanylidene-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(1-methyl-2-oxo-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea CAS Name: 1-[1-methyl-2-oxo-5-(1-pyrrolidinyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-keto-1-methyl-5-pyrrolidino-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCC4)C

InChI

InChI=1S/C22H25N5O2/c1-15-8-7-9-16(14-15)23-22(29)25-19-21(28)26(2)18-11-4-3-10-17(18)20(24-19)27-12-5-6-13-27/h3-4,7-11,14,19H,5-6,12-13H2,1-2H3,(H2,23,25,29)