(E)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(6-chloranyl-2H-chromen-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(6-chloranyl-2H-chromen-3-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-3-(6-chloro-2H-1-benzopyran-3-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C=CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C24H30ClN3O3/c25-21-6-7-22-20(16-21)15-19(18-31-22)5-8-23(29)28-13-11-26(12-14-28)17-24(30)27-9-3-1-2-4-10-27/h5-8,15-16H,1-4,9-14,17-18H2/b8-5+