2-azanyl-4-[4-[(4-chloranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-[(4-chloranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methyl-2-thiophenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C23H22ClN3OS MolecularWeight: 423.95828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3OS/c1-14-15(13-28-17-9-7-16(24)8-10-17)11-21(29-14)22-18-5-3-2-4-6-20(18)27-23(26)19(22)12-25/h7-11H,2-6,13H2,1H3,(H2,26,27)