1-[[3,4-bis(azanyl)phenyl]methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one

Systemtic Name: 1-[[3,4-bis(azanyl)phenyl]methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one Openeye Name: 1-[(3,4-diaminophenyl)methyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-one CAS Name: 1-[(3,4-diaminophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinone IUPAC Name: 1-[(3,4-diaminophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one Traditional Name: 1-(3,4-diaminobenzyl)-4-p-cumenyl-6-propargyloxy-quinazolin-2-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=C(C=C4)N)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=C(C=C4)N)N

InChI

InChI=1S/C27H26N4O2/c1-4-13-33-21-10-12-25-22(15-21)26(20-8-6-19(7-9-20)17(2)3)30-27(32)31(25)16-18-5-11-23(28)24(29)14-18/h1,5-12,14-15,17H,13,16,28-29H2,2-3H3