1-[1-(3-cyclohexyl-2-oxidanylidene-propyl)-2-oxidanylidene-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(3-cyclohexyl-2-oxidanylidene-propyl)-2-oxidanylidene-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(3-cyclohexyl-2-oxo-propyl)-2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(3-cyclohexyl-2-oxopropyl)-2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(3-cyclohexyl-2-oxopropyl)-2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(3-cyclohexyl-2-keto-propyl)-2-keto-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl]-3-(m-tolyl)urea Formula: C32H35N4O3+ MolecularWeight: 523.6453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C=C(C3=CC=CC=C3N([N+]2=O)CC(=O)CC4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C=C(C3=CC=CC=C3N([N+]2=O)CC(=O)CC4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C32H34N4O3/c1-23-11-10-16-26(19-23)33-32(38)34-31-21-29(25-14-6-3-7-15-25)28-17-8-9-18-30(28)35(36(31)39)22-27(37)20-24-12-4-2-5-13-24/h3,6-11,14-19,21,24,31H,2,4-5,12-13,20,22H2,1H3,(H-,33,34,38)/p+1