N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C24H32N4O3/c1-30-22-8-7-20(17-23(22)31-21-5-2-3-6-21)26-24(29)28-14-4-13-27(15-16-28)18-19-9-11-25-12-10-19/h7-12,17,21H,2-6,13-16,18H2,1H3,(H,26,29)