4-[(3-chloranyl-4-phenoxy-phenyl)amino]-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenoxy-phenyl)amino]-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenoxy-anilino)-7-[3-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-phenoxyanilino)-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenoxyanilino)-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-phenoxy-anilino)-7-[3-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C35H26ClN5O MolecularWeight: 568.06684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC(=CC=C5)CNCC6=CC=NC=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC(=CC=C5)CNCC6=CC=NC=C6)Cl

InChI

InChI=1S/C35H26ClN5O/c36-32-19-29(10-12-34(32)42-30-7-2-1-3-8-30)41-35-28(20-37)23-40-33-18-27(9-11-31(33)35)26-6-4-5-25(17-26)22-39-21-24-13-15-38-16-14-24/h1-19,23,39H,21-22H2,(H,40,41)