1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyano-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyano-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-cyano-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-azocanyl)-2-oxoethyl]-5-cyano-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(azocan-1-yl)-2-oxoethyl]-5-cyano-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-cyano-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C28H32N6O3 MolecularWeight: 500.59208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C#N)CC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C#N)CC(=O)N4CCCCCCC4

InChI

InChI=1S/C28H32N6O3/c1-19-10-8-12-21(16-19)30-28(37)32-26-27(36)34(18-24(35)33-14-6-4-3-5-7-15-33)25-20(2)11-9-13-22(25)23(17-29)31-26/h8-13,16,26H,3-7,14-15,18H2,1-2H3,(H2,30,32,37)