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

Systemtic Name: (phenylmethyl) N-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-9-methyl-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-isopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(1-azocanyl)-2-oxoethyl]-9-methyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(azocan-1-yl)-2-oxoethyl]-9-methyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-isopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)N4CCCCCCC4

InChI

InChI=1S/C30H38N4O4/c1-21(2)26-24-16-12-13-22(3)27(24)34(19-25(35)33-17-10-5-4-6-11-18-33)29(36)28(31-26)32-30(37)38-20-23-14-8-7-9-15-23/h7-9,12-16,21,28H,4-6,10-11,17-20H2,1-3H3,(H,32,37)