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

Systemtic Name: piperidin-1-yl 3-oxidanylidene-2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoate Openeye Name: 1-piperidyl 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 1-piperidinyl ester IUPAC Name: piperidin-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 piperidino ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)OC(=O)C(=C=O)C2C(=O)N(CC3=CC=CC=C3N2)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)OC(=O)C(=C=O)C2C(=O)N(CC3=CC=CC=C3N2)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c29-18-21(25(31)32-28-14-7-2-8-15-28)23-24(30)27(16-13-19-9-3-1-4-10-19)17-20-11-5-6-12-22(20)26-23/h1,3-6,9-12,23,26H,2,7-8,13-17H2