6-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one

Systemtic Name: 6-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one Openeye Name: 6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-3-phenyl-isochroman-1-one CAS Name: 6-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: 6-(4-p-anisyl-1,4-diazepane-1-carbonyl)-3-phenyl-isochroman-1-one Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O4/c1-34-25-11-8-21(9-12-25)20-30-14-5-15-31(17-16-30)28(32)23-10-13-26-24(18-23)19-27(35-29(26)33)22-6-3-2-4-7-22/h2-4,6-13,18,27H,5,14-17,19-20H2,1H3