(phenylmethyl) N-[3-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyrazin-2-yl-3H-1,4-benzodiazepin-1-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyrazin-2-yl-3H-1,4-benzodiazepin-1-yl]carbamate Openeye Name: benzyl N-[3-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyrazin-2-yl-3H-1,4-benzodiazepin-1-yl]carbamate CAS Name: N-[3-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyrazinyl)-3H-1,4-benzodiazepin-1-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyrazin-2-yl-3H-1,4-benzodiazepin-1-yl]carbamate Traditional Name: N-[2-keto-3-(2-keto-3,3-dimethyl-butyl)-5-pyrazin-2-yl-3H-1,4-benzodiazepin-1-yl]carbamic acid benzyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=NC=CN=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=NC=CN=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O4/c1-27(2,3)23(33)15-20-25(34)32(31-26(35)36-17-18-9-5-4-6-10-18)22-12-8-7-11-19(22)24(30-20)21-16-28-13-14-29-21/h4-14,16,20H,15,17H2,1-3H3,(H,31,35)