3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]isochroman-1-one Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H26N2O3/c1-17-7-9-18(10-8-17)16-24-11-4-12-25(14-13-24)22(26)21-15-19-5-2-3-6-20(19)23(27)28-21/h2-3,5-10,21H,4,11-16H2,1H3