[1-[2-[[methyl-[4-[(2-propan-2-ylphenyl)amino]quinazolin-2-yl]amino]methyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone

Systemtic Name: [1-[2-[[methyl-[4-[(2-propan-2-ylphenyl)amino]quinazolin-2-yl]amino]methyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone Openeye Name: [1-[2-[[[4-(2-isopropylanilino)quinazolin-2-yl]-methyl-amino]methyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone CAS Name: [1-[2-[[methyl-[4-(2-propan-2-ylanilino)-2-quinazolinyl]amino]methyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone IUPAC Name: [1-[2-[[methyl-[4-(2-propan-2-ylanilino)quinazolin-2-yl]amino]methyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone Traditional Name: [1-[2-[[[4-(2-isopropylanilino)quinazolin-2-yl]-methyl-amino]methyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone Formula: C41H39N5O MolecularWeight: 617.78126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)N(C)CC4=CC=CC=C4C5C6=CC=CC=C6CCN5C(=O)C7=CC=CC=C7

Isomeric SMILES

CC(C)C1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)N(C)CC4=CC=CC=C4C5C6=CC=CC=C6CCN5C(=O)C7=CC=CC=C7

InChI

InChI=1S/C41H39N5O/c1-28(2)32-19-11-13-23-36(32)42-39-35-22-12-14-24-37(35)43-41(44-39)45(3)27-31-18-8-10-21-34(31)38-33-20-9-7-15-29(33)25-26-46(38)40(47)30-16-5-4-6-17-30/h4-24,28,38H,25-27H2,1-3H3,(H,42,43,44)