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

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-benzyloxycyclohexyl]-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(1,4-diazepan-1-yl)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-benzoxycyclohexyl]-2-(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=C(N=CC=C2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O2/c29-24(20-10-6-14-26-23(20)28-16-7-13-25-15-17-28)27-21-11-4-5-12-22(21)30-18-19-8-2-1-3-9-19/h1-3,6,8-10,14,21-22,25H,4-5,7,11-13,15-18H2,(H,27,29)/t21-,22-/m1/s1