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

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-benzyl-N-[3-(cyclopentoxy)-4-methoxy-phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-benzyl-N-[3-(cyclopentoxy)-4-methoxy-phenyl]-1,4-diazepane-1-carboxamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-30-23-13-12-21(18-24(23)31-22-10-5-6-11-22)26-25(29)28-15-7-14-27(16-17-28)19-20-8-3-2-4-9-20/h2-4,8-9,12-13,18,22H,5-7,10-11,14-17,19H2,1H3,(H,26,29)