5-(1-ethanoylpiperidin-4-yl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid

Systemtic Name: 5-(1-ethanoylpiperidin-4-yl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid Openeye Name: 5-(1-acetyl-4-piperidyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid CAS Name: 5-(1-acetyl-4-piperidinyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid IUPAC Name: 5-(1-acetylpiperidin-4-yl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid Traditional Name: 5-(1-acetyl-4-piperidyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N2CC3=CC=CC=C3N4C=CC=C4C2C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1)N2CC3=CC=CC=C3N4C=CC=C4C2C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-14(24)21-11-8-16(9-12-21)23-13-15-5-2-3-6-17(15)22-10-4-7-18(22)19(23)20(25)26/h2-7,10,16,19H,8-9,11-13H2,1H3,(H,25,26)