4-[[2-chloranyl-6-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-3-yl]phenyl]amino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[2-chloranyl-6-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-3-yl]phenyl]amino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-[2-chloro-6-methyl-4-[5-(1-piperidylmethyl)-3-thienyl]anilino]-7-[5-(1-piperidylmethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[2-chloro-6-methyl-4-[5-(1-piperidinylmethyl)-3-thiophenyl]anilino]-7-[5-(1-piperidinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[2-chloro-6-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-3-yl]anilino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[2-chloro-6-methyl-4-[5-(piperidinomethyl)-3-thienyl]anilino]-7-[5-(piperidinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C37H38ClN5S2 MolecularWeight: 652.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CSC(=C2)CN3CCCCC3)Cl)NC4=C5C=CC(=CC5=NC=C4C#N)C6=CSC(=C6)CN7CCCCC7

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CSC(=C2)CN3CCCCC3)Cl)NC4=C5C=CC(=CC5=NC=C4C#N)C6=CSC(=C6)CN7CCCCC7

InChI

InChI=1S/C37H38ClN5S2/c1-25-14-27(29-16-32(45-24-29)22-43-12-6-3-7-13-43)17-34(38)36(25)41-37-30(19-39)20-40-35-18-26(8-9-33(35)37)28-15-31(44-23-28)21-42-10-4-2-5-11-42/h8-9,14-18,20,23-24H,2-7,10-13,21-22H2,1H3,(H,40,41)