1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-(4-chloranyl-2-methyl-phenoxy)butan-1-one

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-(4-chloranyl-2-methyl-phenoxy)butan-1-one Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(4-chloro-2-methyl-phenoxy)butan-1-one CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-4-(4-chloro-2-methylphenoxy)-1-butanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(4-chloro-2-methylphenoxy)butan-1-one Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-4-(4-chloro-2-methyl-phenoxy)butan-1-one Formula: C24H28ClN5O2 MolecularWeight: 453.96442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C24H28ClN5O2/c1-17-15-18(25)8-9-21(17)32-14-4-7-23(31)30-12-10-29(11-13-30)16-22-27-20-6-3-2-5-19(20)24(26)28-22/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3,(H2,26,27,28)