1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-3-methoxy-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-3-methoxy-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-methoxy-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[[4-[3-(aminomethyl)phenyl]-1-piperidinyl]-oxomethyl]-3-methoxy-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-methoxy-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-methoxy-6,6-dimethyl-5,7-dihydroisobenzothiophen-4-one Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)OC)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)OC)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)C

InChI

InChI=1S/C24H30N2O3S/c1-24(2)12-18-20(19(27)13-24)23(29-3)30-21(18)22(28)26-9-7-16(8-10-26)17-6-4-5-15(11-17)14-25/h4-6,11,16H,7-10,12-14,25H2,1-3H3