2-(3-methylpiperazin-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(3-methylpiperazin-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: 2-(3-methyl-1-piperazinyl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(3-methylpiperazin-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-2-(3-methylpiperazino)nicotinamide Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC3CCCCC3OCC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N[C@H]3CCCC[C@@H]3OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O2/c1-18-16-28(15-14-25-18)23-20(10-7-13-26-23)24(29)27-21-11-5-6-12-22(21)30-17-19-8-3-2-4-9-19/h2-4,7-10,13,18,21-22,25H,5-6,11-12,14-17H2,1H3,(H,27,29)/t18?,21-,22-/m0/s1