(phenylmethyl) N-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclohexyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclohexyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(1-azocanyl)-2-oxoethyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(azocan-1-yl)-2-oxoethyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-cyclohexyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C33H42N4O4 MolecularWeight: 558.71098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC(=O)N5CCCCCCC5

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC(=O)N5CCCCCCC5

InChI

InChI=1S/C33H42N4O4/c1-24-14-13-19-27-29(26-17-9-6-10-18-26)34-31(35-33(40)41-23-25-15-7-5-8-16-25)32(39)37(30(24)27)22-28(38)36-20-11-3-2-4-12-21-36/h5,7-8,13-16,19,26,31H,2-4,6,9-12,17-18,20-23H2,1H3,(H,35,40)