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

Systemtic Name: 3-phenyl-6-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-3,4-dihydroisochromen-1-one Openeye Name: 6-(4-benzyl-1,4-diazepane-1-carbonyl)-3-phenyl-isochroman-1-one CAS Name: 6-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 6-(4-benzyl-1,4-diazepane-1-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: 6-(4-benzyl-1,4-diazepane-1-carbonyl)-3-phenyl-isochroman-1-one Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3/c31-27(30-15-7-14-29(16-17-30)20-21-8-3-1-4-9-21)23-12-13-25-24(18-23)19-26(33-28(25)32)22-10-5-2-6-11-22/h1-6,8-13,18,26H,7,14-17,19-20H2