3-[(7-chloranyl-2-phenyl-quinazolin-4-yl)-(phenylmethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(7-chloranyl-2-phenyl-quinazolin-4-yl)-(phenylmethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[benzyl-(7-chloro-2-phenyl-quinazolin-4-yl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-phenyl-4-quinazolinyl)-(phenylmethyl)amino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[benzyl-(7-chloro-2-phenylquinazolin-4-yl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[benzyl-(7-chloro-2-phenyl-quinazolin-4-yl)amino]-1-(4-ethylpiperazino)propan-1-one Formula: C30H32ClN5O MolecularWeight: 514.06098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H32ClN5O/c1-2-34-17-19-35(20-18-34)28(37)15-16-36(22-23-9-5-3-6-10-23)30-26-14-13-25(31)21-27(26)32-29(33-30)24-11-7-4-8-12-24/h3-14,21H,2,15-20,22H2,1H3