2-[8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[[methyl-[2-(4-piperidinyl)ethyl]amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-8-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C28H35N4O4- MolecularWeight: 491.6019

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)[O-])CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(CCC1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)[O-])CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H36N4O4/c1-31(15-11-21-9-13-29-14-10-21)27(35)22-7-8-23-19-32(16-12-20-5-3-2-4-6-20)28(36)25(18-26(33)34)30-24(23)17-22/h2-8,17,21,25,29-30H,9-16,18-19H2,1H3,(H,33,34)/p-1