2-(2-methoxyphenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(2-methoxyphenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(2-methoxyphenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(2-methoxyphenyl)-5-(6-quinoxalinylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(2-methoxyphenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(2-methoxyphenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(C3=CC=CC=C3S2)CC4=CC5=NC=CN=C5C=C4

Isomeric SMILES

COC1=CC=CC=C1C2CCN(C3=CC=CC=C3S2)CC4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C25H23N3OS/c1-29-23-8-4-2-6-19(23)24-12-15-28(22-7-3-5-9-25(22)30-24)17-18-10-11-20-21(16-18)27-14-13-26-20/h2-11,13-14,16,24H,12,15,17H2,1H3