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

Systemtic Name: [4-(2-azanylethyl)piperidin-1-yl] 3-oxidanylidene-2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoate Openeye Name: [4-(2-aminoethyl)-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 [4-(2-aminoethyl)-1-piperidinyl] ester IUPAC Name: [4-(2-aminoethyl)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 [4-(2-aminoethyl)piperidino] ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN)OC(=O)C(=C=O)C2C(=O)N(CC3=CC=CC=C3N2)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCN)OC(=O)C(=C=O)C2C(=O)N(CC3=CC=CC=C3N2)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c28-14-10-21-12-16-31(17-13-21)35-27(34)23(19-32)25-26(33)30(15-11-20-6-2-1-3-7-20)18-22-8-4-5-9-24(22)29-25/h1-9,21,25,29H,10-18,28H2