2-[4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrol-3-yl]ethanol

Systemtic Name: 2-[4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrol-3-yl]ethanol Openeye Name: 2-[4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrol-3-yl]ethanol CAS Name: 2-[4-[(4-methyl-1-piperazinyl)methyl]-1-[4-(1-phenylethylamino)-6-quinazolinyl]-3-pyrrolyl]ethanol IUPAC Name: 2-[4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrol-3-yl]ethanol Traditional Name: 2-[4-[(4-methylpiperazino)methyl]-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrol-3-yl]ethanol Formula: C28H34N6O MolecularWeight: 470.60916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=C(C(=C4)CN5CCN(CC5)C)CCO

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=C(C(=C4)CN5CCN(CC5)C)CCO

InChI

InChI=1S/C28H34N6O/c1-21(22-6-4-3-5-7-22)31-28-26-16-25(8-9-27(26)29-20-30-28)34-18-23(10-15-35)24(19-34)17-33-13-11-32(2)12-14-33/h3-9,16,18-21,35H,10-15,17H2,1-2H3,(H,29,30,31)