ethanedioic acid; 6-methyl-8-(2-piperazin-1-ylethyl)-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one

Systemtic Name: ethanedioic acid; 6-methyl-8-(2-piperazin-1-ylethyl)-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one Openeye Name: 6-methyl-8-(2-piperazin-1-ylethyl)-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; oxalic acid CAS Name: 6-methyl-8-[2-(1-piperazinyl)ethyl]-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; oxalic acid IUPAC Name: 6-methyl-8-(2-piperazin-1-ylethyl)-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; oxalic acid Traditional Name: 6-methyl-8-(2-piperazinoethyl)-8,9-dihydro-7H-pyrid[3,2-c]azepin-5-one; oxalic acid Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC2=C(C1=O)C=CC=N2)CCN3CCNCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CC(CC2=C(C1=O)C=CC=N2)CCN3CCNCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N4O.C2H2O4/c1-19-12-13(4-8-20-9-6-17-7-10-20)11-15-14(16(19)21)3-2-5-18-15;3-1(4)2(5)6/h2-3,5,13,17H,4,6-12H2,1H3;(H,3,4)(H,5,6)