1-(3-methylphenyl)-3-(2-oxidanylidene-5-piperidin-2-yl-1-propyl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(3-methylphenyl)-3-(2-oxidanylidene-5-piperidin-2-yl-1-propyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(m-tolyl)-3-[2-oxo-5-(2-piperidyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-methylphenyl)-3-[2-oxo-5-(2-piperidinyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-(2-oxo-5-piperidin-2-yl-1-propyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[2-keto-5-(2-piperidyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCCCN4

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCCCN4

InChI

InChI=1S/C25H31N5O2/c1-3-15-30-21-13-5-4-11-19(21)22(20-12-6-7-14-26-20)28-23(24(30)31)29-25(32)27-18-10-8-9-17(2)16-18/h4-5,8-11,13,16,20,23,26H,3,6-7,12,14-15H2,1-2H3,(H2,27,29,32)