2-azanyl-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC3=C(N=C(C(=C32)C#N)N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SCCC3=C(N=C(C(=C32)C#N)N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H21N3O2S/c1-13-4-7-20-16(10-13)21-15(8-9-29-20)22(26-23(25)17(21)12-24)14-5-6-18(27-2)19(11-14)28-3/h4-7,10-11H,8-9H2,1-3H3,(H2,25,26)