N-(2-chloranyl-5-methoxy-phenyl)-7-phenylmethoxy-5-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-(2-chloranyl-5-methoxy-phenyl)-7-phenylmethoxy-5-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine Openeye Name: 7-benzyloxy-N-(2-chloro-5-methoxy-phenyl)-5-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine CAS Name: N-(2-chloro-5-methoxyphenyl)-7-phenylmethoxy-5-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(2-chloro-5-methoxyphenyl)-7-phenylmethoxy-5-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine Traditional Name: [7-benzoxy-5-(3-pyrrolidinopropoxy)quinazolin-4-yl]-(2-chloro-5-methoxy-phenyl)amine Formula: C29H31ClN4O3 MolecularWeight: 519.03444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)NC2=NC=NC3=CC(=CC(=C32)OCCCN4CCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)NC2=NC=NC3=CC(=CC(=C32)OCCCN4CCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31ClN4O3/c1-35-22-10-11-24(30)25(16-22)33-29-28-26(31-20-32-29)17-23(37-19-21-8-3-2-4-9-21)18-27(28)36-15-7-14-34-12-5-6-13-34/h2-4,8-11,16-18,20H,5-7,12-15,19H2,1H3,(H,31,32,33)