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

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-3-methyl-butyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-3-methyl-butyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-3-methylbutyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-3-methylbutyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)-3-methyl-butyl]-4-methyl-benzamide Formula: C31H35ClN4O2 MolecularWeight: 531.0882

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H35ClN4O2/c1-21(2)18-28(35(17-7-16-33)30(37)24-12-10-22(3)11-13-24)29-34-27-19-25(32)14-15-26(27)31(38)36(29)20-23-8-5-4-6-9-23/h4-6,8-15,19,21,28H,7,16-18,20,33H2,1-3H3