(4-pyridin-4-ylpiperazin-1-yl) 3-oxidanylidene-2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoate

Systemtic Name: (4-pyridin-4-ylpiperazin-1-yl) 3-oxidanylidene-2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoate Openeye Name: [4-(4-pyridyl)piperazin-1-yl] 3-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoate CAS Name: 3-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-2-propenoic acid (4-pyridin-4-yl-1-piperazinyl) ester IUPAC Name: (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoate Traditional Name: 3-keto-2-(3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acrylic acid [4-(4-pyridyl)piperazino] ester Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)OC(=O)C(=C=O)C3C(=O)N(CC4=CC=CC=C4N3)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)OC(=O)C(=C=O)C3C(=O)N(CC4=CC=CC=C4N3)CCC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O4/c35-21-25(29(37)38-34-18-16-32(17-19-34)24-10-13-30-14-11-24)27-28(36)33(15-12-22-6-2-1-3-7-22)20-23-8-4-5-9-26(23)31-27/h1-11,13-14,27,31H,12,15-20H2