methyl 2-[3-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[3-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[3-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[3-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[3-[3-keto-3-(4-methylpiperazino)propyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC

InChI

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