N-[5-azanyl-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]pentyl]-N-(3-azanylpropyl)-4-methyl-benzamide

Systemtic Name: N-[5-azanyl-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]pentyl]-N-(3-azanylpropyl)-4-methyl-benzamide Openeye Name: N-[5-amino-1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)pentyl]-N-(3-aminopropyl)-4-methyl-benzamide CAS Name: N-[5-amino-1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]pentyl]-N-(3-aminopropyl)-4-methylbenzamide IUPAC Name: N-[5-amino-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)pentyl]-N-(3-aminopropyl)-4-methylbenzamide Traditional Name: N-[5-amino-1-(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)pentyl]-N-(3-aminopropyl)-4-methyl-benzamide Formula: C31H36ClN5O2 MolecularWeight: 546.10284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36ClN5O2/c1-22-11-13-24(14-12-22)30(38)36(19-7-18-34)28(10-5-6-17-33)29-35-27-20-25(32)15-16-26(27)31(39)37(29)21-23-8-3-2-4-9-23/h2-4,8-9,11-16,20,28H,5-7,10,17-19,21,33-34H2,1H3