3-methyl-2-phenyl-8-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]chromen-4-one

Systemtic Name: 3-methyl-2-phenyl-8-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]chromen-4-one Openeye Name: 8-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methyl-2-phenyl-chromen-4-one CAS Name: 3-methyl-8-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1-benzopyran-4-one IUPAC Name: 8-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one Traditional Name: 8-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methyl-2-phenyl-chromone Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c1-21-26(32)24-14-8-15-25(28(24)34-27(21)23-12-6-3-7-13-23)29(33)31-17-9-16-30(18-19-31)20-22-10-4-2-5-11-22/h2-8,10-15H,9,16-20H2,1H3