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

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-chloranyl-4-methyl-phenyl)propan-1-one Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-chloro-4-methyl-phenyl)propan-1-one CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-(3-chloro-4-methylphenyl)-1-propanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-chloro-4-methylphenyl)propan-1-one Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-(3-chloro-4-methyl-phenyl)propan-1-one Formula: C23H26ClN5O MolecularWeight: 423.93844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O/c1-16-6-7-17(14-19(16)24)8-9-22(30)29-12-10-28(11-13-29)15-21-26-20-5-3-2-4-18(20)23(25)27-21/h2-7,14H,8-13,15H2,1H3,(H2,25,26,27)