1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-bromanyl-4-methoxy-phenyl)propan-1-one

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-bromanyl-4-methoxy-phenyl)propan-1-one Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-bromo-4-methoxy-phenyl)propan-1-one CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-(3-bromo-4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-(3-bromo-4-methoxy-phenyl)propan-1-one Formula: C23H26BrN5O2 MolecularWeight: 484.38884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)Br

InChI

InChI=1S/C23H26BrN5O2/c1-31-20-8-6-16(14-18(20)24)7-9-22(30)29-12-10-28(11-13-29)15-21-26-19-5-3-2-4-17(19)23(25)27-21/h2-6,8,14H,7,9-13,15H2,1H3,(H2,25,26,27)