6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(5-quinolylmethyl)-1,4-diazepan-2-one CAS Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(5-quinolinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-(cyclopropylmethoxy)-1-m-anisyl-4-(5-quinolylmethyl)-1,4-diazepan-2-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)CC3=C4C=CC=NC4=CC=C3)OCC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)CC3=C4C=CC=NC4=CC=C3)OCC5CC5

InChI

InChI=1S/C27H31N3O3/c1-32-23-7-2-5-21(13-23)14-30-17-24(33-19-20-10-11-20)16-29(18-27(30)31)15-22-6-3-9-26-25(22)8-4-12-28-26/h2-9,12-13,20,24H,10-11,14-19H2,1H3