6-[(2S)-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

Systemtic Name: 6-[(2S)-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide Openeye Name: 6-[(2S)-2,4-dimethyl-3-oxo-piperazin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide CAS Name: 6-[(2S)-2,4-dimethyl-3-oxo-1-piperazinyl]-N-[3-(4-methoxyphenyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-[(2S)-2,4-dimethyl-3-oxopiperazin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide Traditional Name: 6-[(2S)-3-keto-2,4-dimethyl-piperazino]-N-[3-(4-methoxyphenyl)propyl]nicotinamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC)C

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H28N4O3/c1-16-22(28)25(2)13-14-26(16)20-11-8-18(15-24-20)21(27)23-12-4-5-17-6-9-19(29-3)10-7-17/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,23,27)/t16-/m0/s1