3-[[bis(2-methylpropyl)amino]methyl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinoline-6-carbonitrile

Systemtic Name: 3-[[bis(2-methylpropyl)amino]methyl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(diisobutylamino)methyl]quinoline-6-carbonitrile CAS Name: 3-[[bis(2-methylpropyl)amino]methyl]-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-quinolinecarbonitrile IUPAC Name: 3-[[bis(2-methylpropyl)amino]methyl]-4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(diisobutylamino)methyl]quinoline-6-carbonitrile Formula: C27H33ClN4O MolecularWeight: 465.03012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N)CC(C)C

Isomeric SMILES

CC(C)CN(CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N)CC(C)C

InChI

InChI=1S/C27H33ClN4O/c1-18(2)15-32(16-19(3)4)17-22-14-30-25-8-6-20(12-29)10-23(25)27(22)31-13-21-7-9-26(33-5)24(28)11-21/h6-11,14,18-19H,13,15-17H2,1-5H3,(H,30,31)