ethyl 2-[1-methyl-7-(methylamino)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-methyl-7-(methylamino)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: ethyl 2-[1-methyl-7-(methylamino)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-methyl-7-(methylamino)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-methyl-7-(methylamino)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-1-methyl-7-(methylamino)-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(CC2=C(N1C)C=CC(=C2)NC)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1C(=O)N(CC2=C(N1C)C=CC(=C2)NC)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-4-29-22(27)15-21-23(28)26(13-12-17-8-6-5-7-9-17)16-18-14-19(24-2)10-11-20(18)25(21)3/h5-11,14,21,24H,4,12-13,15-16H2,1-3H3