2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1-carbonyl]-6-methyl-chromone Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H29N3O4/c1-17-6-7-20-18(14-17)19(27)15-21(30-20)23(29)26-12-10-24(11-13-26)16-22(28)25-8-4-2-3-5-9-25/h6-7,14-15H,2-5,8-13,16H2,1H3