2,2-diphenylethanoyl-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)azanium

Systemtic Name: 2,2-diphenylethanoyl-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)azanium Openeye Name: (2,2-diphenylacetyl)-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)-(1-oxo-2,2-diphenylethyl)ammonium IUPAC Name: (2,2-diphenylacetyl)-(3-ethoxycarbonyl-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)azanium Traditional Name: (3-carbethoxy-4-methyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)-(2,2-diphenylacetyl)ammonium Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2NC1=[NH+]C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2NC1=[NH+]C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O3/c1-3-33-27(32)23-18(2)28-21-16-10-11-17-22(21)29-25(23)30-26(31)24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,24,28H,3H2,1-2H3,(H,29,30,31)/p+1