6-(1,4-diazepan-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide

Systemtic Name: 6-(1,4-diazepan-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: 6-(1,4-diazepan-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-pyridinecarboxamide IUPAC Name: 6-(1,4-diazepan-1-yl)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-6-(1,4-diazepan-1-yl)nicotinamide Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CN=C(C=C2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)C2=CN=C(C=C2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O2/c29-24(20-11-12-23(26-17-20)28-15-6-13-25-14-16-28)27-21-9-4-5-10-22(21)30-18-19-7-2-1-3-8-19/h1-3,7-8,11-12,17,21-22,25H,4-6,9-10,13-16,18H2,(H,27,29)/t21-,22-/m0/s1