4-[(2-bromanyl-5-methoxy-phenyl)amino]-5-piperidin-4-yloxy-1H-quinazolin-7-one

Systemtic Name: 4-[(2-bromanyl-5-methoxy-phenyl)amino]-5-piperidin-4-yloxy-1H-quinazolin-7-one Openeye Name: 4-(2-bromo-5-methoxy-anilino)-5-(4-piperidyloxy)-1H-quinazolin-7-one CAS Name: 4-(2-bromo-5-methoxyanilino)-5-(4-piperidinyloxy)-1H-quinazolin-7-one IUPAC Name: 4-(2-bromo-5-methoxyanilino)-5-piperidin-4-yloxy-1H-quinazolin-7-one Traditional Name: 4-(2-bromo-5-methoxy-anilino)-5-(4-piperidyloxy)-1H-quinazolin-7-one Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)NC2=C3C(=CC(=O)C=C3OC4CCNCC4)NC=N2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)NC2=C3C(=CC(=O)C=C3OC4CCNCC4)NC=N2

InChI

InChI=1S/C20H21BrN4O3/c1-27-14-2-3-15(21)16(10-14)25-20-19-17(23-11-24-20)8-12(26)9-18(19)28-13-4-6-22-7-5-13/h2-3,8-11,13,22,25H,4-7H2,1H3,(H,23,24)