4-[(2-chloranyl-5-methoxy-4-methyl-phenyl)amino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2-chloranyl-5-methoxy-4-methyl-phenyl)amino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2-chloro-5-methoxy-4-methyl-anilino)-7-[4-(morpholinomethyl)phenyl]quinoline-3-carbonitrile CAS Name: 4-(2-chloro-5-methoxy-4-methylanilino)-7-[4-(4-morpholinylmethyl)phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2-chloro-5-methoxy-4-methylanilino)-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2-chloro-5-methoxy-4-methyl-anilino)-7-[4-(morpholinomethyl)phenyl]quinoline-3-carbonitrile Formula: C29H27ClN4O2 MolecularWeight: 499.00328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(C=C4)CN5CCOCC5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(C=C4)CN5CCOCC5)Cl

InChI

InChI=1S/C29H27ClN4O2/c1-19-13-25(30)27(15-28(19)35-2)33-29-23(16-31)17-32-26-14-22(7-8-24(26)29)21-5-3-20(4-6-21)18-34-9-11-36-12-10-34/h3-8,13-15,17H,9-12,18H2,1-2H3,(H,32,33)