3-[4-[(4-aminophenyl)methyl]piperidin-1-yl]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one

Systemtic Name: 3-[4-[(4-aminophenyl)methyl]piperidin-1-yl]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Openeye Name: 3-[4-[(4-aminophenyl)methyl]-1-piperidyl]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one CAS Name: 3-[4-[(4-aminophenyl)methyl]-1-piperidinyl]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-1-propanone IUPAC Name: 3-[4-[(4-aminophenyl)methyl]piperidin-1-yl]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Traditional Name: 3-[4-(4-aminobenzyl)piperidino]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=C(C=C4)N

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=C(C=C4)N

InChI

InChI=1S/C25H33N3O2S/c1-30-23-6-7-24-21(17-23)18-28(14-15-31-24)25(29)10-13-27-11-8-20(9-12-27)16-19-2-4-22(26)5-3-19/h2-7,17,20H,8-16,18,26H2,1H3