N-[2-azanyl-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]ethyl]-N-(3-azanylpropyl)-4-methyl-benzamide

Systemtic Name: N-[2-azanyl-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]ethyl]-N-(3-azanylpropyl)-4-methyl-benzamide Openeye Name: N-[2-amino-2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)ethyl]-N-(3-aminopropyl)-4-methyl-benzamide CAS Name: N-[2-amino-2-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]ethyl]-N-(3-aminopropyl)-4-methylbenzamide IUPAC Name: N-[2-amino-2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)ethyl]-N-(3-aminopropyl)-4-methylbenzamide Traditional Name: N-[2-amino-2-(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)ethyl]-N-(3-aminopropyl)-4-methyl-benzamide Formula: C28H30ClN5O2 MolecularWeight: 504.0231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)CC(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)CC(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)N

InChI

InChI=1S/C28H30ClN5O2/c1-19-8-10-21(11-9-19)27(35)33(15-5-14-30)18-24(31)26-32-25-16-22(29)12-13-23(25)28(36)34(26)17-20-6-3-2-4-7-20/h2-4,6-13,16,24H,5,14-15,17-18,30-31H2,1H3