6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(3-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-2-one

Systemtic Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(3-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-2-one Openeye Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(3-pyrazol-1-ylbenzoyl)-1,4-diazepan-2-one CAS Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-1,4-diazepan-2-one IUPAC Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(3-pyrazol-1-ylbenzoyl)-1,4-diazepan-2-one Traditional Name: 6-(cyclopropylmethoxy)-1-m-anisyl-4-(3-pyrazol-1-ylbenzoyl)-1,4-diazepan-2-one Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)C(=O)C3=CC(=CC=C3)N4C=CC=N4)OCC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)C(=O)C3=CC(=CC=C3)N4C=CC=N4)OCC5CC5

InChI

InChI=1S/C27H30N4O4/c1-34-24-8-2-5-21(13-24)15-29-16-25(35-19-20-9-10-20)17-30(18-26(29)32)27(33)22-6-3-7-23(14-22)31-12-4-11-28-31/h2-8,11-14,20,25H,9-10,15-19H2,1H3