N-(3-methyl-4-phenoxy-phenyl)-6-(2-piperidin-3-ylethyl)-2-quinazolin-4-yl-quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-(2-piperidin-3-ylethyl)-2-quinazolin-4-yl-quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-(3-piperidyl)ethyl]-2-quinazolin-4-yl-quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-(3-piperidinyl)ethyl]-2-(4-quinazolinyl)-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-(2-piperidin-3-ylethyl)-2-quinazolin-4-ylquinazolin-4-amine Traditional Name: (3-methyl-4-phenoxy-phenyl)-[6-[2-(3-piperidyl)ethyl]-2-quinazolin-4-yl-quinazolin-4-yl]amine Formula: C36H34N6O MolecularWeight: 566.69476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)CCC4CCCNC4)C5=NC=NC6=CC=CC=C65)OC7=CC=CC=C7

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)CCC4CCCNC4)C5=NC=NC6=CC=CC=C65)OC7=CC=CC=C7

InChI

InChI=1S/C36H34N6O/c1-24-20-27(16-18-33(24)43-28-9-3-2-4-10-28)40-35-30-21-25(13-14-26-8-7-19-37-22-26)15-17-32(30)41-36(42-35)34-29-11-5-6-12-31(29)38-23-39-34/h2-6,9-12,15-18,20-21,23,26,37H,7-8,13-14,19,22H2,1H3,(H,40,41,42)