1-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-methoxy-6-(4-piperazin-1-ylbut-1-ynyl)naphthalene-2-carbonitrile

Systemtic Name: 1-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-methoxy-6-(4-piperazin-1-ylbut-1-ynyl)naphthalene-2-carbonitrile Openeye Name: 1-(2,4-dichloro-5-methoxy-anilino)-7-methoxy-6-(4-piperazin-1-ylbut-1-ynyl)naphthalene-2-carbonitrile CAS Name: 1-(2,4-dichloro-5-methoxyanilino)-7-methoxy-6-[4-(1-piperazinyl)but-1-ynyl]-2-naphthalenecarbonitrile IUPAC Name: 1-(2,4-dichloro-5-methoxyanilino)-7-methoxy-6-(4-piperazin-1-ylbut-1-ynyl)naphthalene-2-carbonitrile Traditional Name: 1-(2,4-dichloro-5-methoxy-anilino)-7-methoxy-6-(4-piperazinobut-1-ynyl)naphthalene-2-carbonitrile Formula: C27H26Cl2N4O2 MolecularWeight: 509.42694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC(=C2NC3=CC(=C(C=C3Cl)Cl)OC)C#N)C=C1C#CCCN4CCNCC4

Isomeric SMILES

COC1=CC2=C(C=CC(=C2NC3=CC(=C(C=C3Cl)Cl)OC)C#N)C=C1C#CCCN4CCNCC4

InChI

InChI=1S/C27H26Cl2N4O2/c1-34-25-14-21-18(13-19(25)5-3-4-10-33-11-8-31-9-12-33)6-7-20(17-30)27(21)32-24-16-26(35-2)23(29)15-22(24)28/h6-7,13-16,31-32H,4,8-12H2,1-2H3