1-(azepan-1-yl)-4-[1-(dimethylaminomethyl)indol-3-yl]butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[1-(dimethylaminomethyl)indol-3-yl]butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[1-(dimethylaminomethyl)indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[1-(dimethylaminomethyl)-3-indolyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[1-(dimethylaminomethyl)indol-3-yl]butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[1-(dimethylaminomethyl)indol-3-yl]butan-1-one Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CN1C=C(C2=CC=CC=C21)CCCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C)CN1C=C(C2=CC=CC=C21)CCCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O/c1-22(2)17-24-16-18(19-11-5-6-12-20(19)24)10-9-13-21(25)23-14-7-3-4-8-15-23/h5-6,11-12,16H,3-4,7-10,13-15,17H2,1-2H3