4-[(4-azanyl-3-methyl-phenyl)amino]-5-[5-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]pyridine-3-carbonitrile

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)amino]-5-[5-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]pyridine-3-carbonitrile Openeye Name: 4-(4-amino-3-methyl-anilino)-5-[5-(1-piperidylmethyl)benzothiophen-2-yl]pyridine-3-carbonitrile CAS Name: 4-(4-amino-3-methylanilino)-5-[5-(1-piperidinylmethyl)-1-benzothiophen-2-yl]-3-pyridinecarbonitrile IUPAC Name: 4-(4-amino-3-methylanilino)-5-[5-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]pyridine-3-carbonitrile Traditional Name: 4-(4-amino-3-methyl-anilino)-5-[5-(piperidinomethyl)benzothiophen-2-yl]nicotinonitrile Formula: C27H27N5S MolecularWeight: 453.60178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=NC=C2C#N)C3=CC4=C(S3)C=CC(=C4)CN5CCCCC5)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=NC=C2C#N)C3=CC4=C(S3)C=CC(=C4)CN5CCCCC5)N

InChI

InChI=1S/C27H27N5S/c1-18-11-22(6-7-24(18)29)31-27-21(14-28)15-30-16-23(27)26-13-20-12-19(5-8-25(20)33-26)17-32-9-3-2-4-10-32/h5-8,11-13,15-16H,2-4,9-10,17,29H2,1H3,(H,30,31)