4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-pyrrolidinopiperidino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C31H31BrClN5O MolecularWeight: 604.96774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCC(CC5)N6CCCC6)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCC(CC5)N6CCCC6)Cl)Br

InChI

InChI=1S/C31H31BrClN5O/c1-20-14-23(32)16-27(33)30(20)36-31-22(17-34)18-35-28-15-21(4-6-26(28)31)29-7-5-25(39-29)19-37-12-8-24(9-13-37)38-10-2-3-11-38/h4-7,14-16,18,24H,2-3,8-13,19H2,1H3,(H,35,36)