2-[2-[4-methyl-2-oxidanylidene-1-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-methyl-2-oxidanylidene-1-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-benzyl-3-[(E)-cinnamyl]-4-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-methyl-2-oxo-1-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1,5-benzodiazepin-5-yl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-benzyl-4-methyl-2-oxo-3-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1,5-benzodiazepin-5-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[1-benzyl-3-[(E)-cinnamyl]-2-keto-4-methyl-3,4-dihydro-1,5-benzodiazepin-5-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C36H31N3O4 MolecularWeight: 569.64904

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C2=CC=CC=C2N1C(=O)CN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5)CC=CC6=CC=CC=C6

Isomeric SMILES

CC1C(C(=O)N(C2=CC=CC=C2N1C(=O)CN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5)C/C=C/C6=CC=CC=C6

InChI

InChI=1S/C36H31N3O4/c1-25-28(20-12-17-26-13-4-2-5-14-26)34(41)37(23-27-15-6-3-7-16-27)31-21-10-11-22-32(31)39(25)33(40)24-38-35(42)29-18-8-9-19-30(29)36(38)43/h2-19,21-22,25,28H,20,23-24H2,1H3/b17-12+