(phenylmethyl) N-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(diethylamino)-2-oxo-ethyl]-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(diethylamino)-2-oxoethyl]-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(diethylamino)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[2-(diethylamino)-2-keto-ethyl]-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CCN(CC)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C28H29N5O4/c1-3-32(4-2)24(34)18-33-23-16-9-8-14-21(23)25(22-15-10-11-17-29-22)30-26(27(33)35)31-28(36)37-19-20-12-6-5-7-13-20/h5-17,26H,3-4,18-19H2,1-2H3,(H,31,36)