methyl 2-(8-bromanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate; methyl(triphenyl)phosphanium

Systemtic Name: methyl 2-(8-bromanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate; methyl(triphenyl)phosphanium Openeye Name: methyl 2-(8-bromo-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate; methyl(triphenyl)phosphonium CAS Name: 2-(8-bromo-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester; methyl(triphenyl)phosphonium IUPAC Name: methyl 2-(8-bromo-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate; methyl(triphenyl)phosphanium Traditional Name: 2-(8-bromo-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester; methyl(triphenyl)phosphonium Formula: C39H39BrN2O3P+ MolecularWeight: 694.616321

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)Br)CCC3=CC=CC=C3.C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)Br)CCC3=CC=CC=C3.C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O3.C19H18P/c1-26-19(24)12-18-20(25)23(10-9-14-5-3-2-4-6-14)13-15-7-8-16(21)11-17(15)22-18;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-8,11,18,22H,9-10,12-13H2,1H3;2-16H,1H3/q;+1