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

Systemtic Name: (phenylmethyl) N-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclopropyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(1-azocanyl)-2-oxoethyl]-5-cyclopropyl-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-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-cyclopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CC3)NC(=O)OCC4=CC=CC=C4)CC(=O)N5CCCCCCC5

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CC3)NC(=O)OCC4=CC=CC=C4)CC(=O)N5CCCCCCC5

InChI

InChI=1S/C30H36N4O4/c1-21-11-10-14-24-26(23-15-16-23)31-28(32-30(37)38-20-22-12-6-5-7-13-22)29(36)34(27(21)24)19-25(35)33-17-8-3-2-4-9-18-33/h5-7,10-14,23,28H,2-4,8-9,15-20H2,1H3,(H,32,37)