4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O2/c28-25-16-22(23-14-20-8-4-9-21(20)15-24(23)29-25)18-27-11-5-10-26(12-13-27)17-19-6-2-1-3-7-19/h1-3,6-7,14-16H,4-5,8-13,17-18H2