N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-[(4-isopropylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide Formula: C27H38N4O MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C27H38N4O/c1-21(2)23-11-9-22(10-12-23)20-30-15-6-16-31(18-17-30)26-14-13-25(19-28-26)29-27(32)24-7-4-3-5-8-24/h9-14,19,21,24H,3-8,15-18,20H2,1-2H3,(H,29,32)