7-methoxy-4-methyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]chromen-2-one

Systemtic Name: 7-methoxy-4-methyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]chromen-2-one Openeye Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 7-methoxy-4-methyl-3-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1-benzopyran-2-one IUPAC Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4/c1-19-22-10-9-21(31-2)17-24(22)32-26(30)23(19)11-12-25(29)28-14-6-13-27(15-16-28)18-20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16,18H2,1-2H3