methyl 3-[3-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[3-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[3-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[3-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[3-[3-keto-3-(4-methylpiperazino)propyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C22H31N3O4/c1-23-11-13-24(14-12-23)20(26)9-8-17-5-4-10-25(16-17)21(27)18-6-3-7-19(15-18)22(28)29-2/h3,6-7,15,17H,4-5,8-14,16H2,1-2H3