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

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-cyano-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-oxo-quinazolin-2-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-cyano-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-keto-quinazolin-2-yl)-2-methyl-propyl]-4-methyl-benzamide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N5O2/c1-21(2)28(35(17-7-16-32)30(37)25-13-10-22(3)11-14-25)29-34-27-18-24(19-33)12-15-26(27)31(38)36(29)20-23-8-5-4-6-9-23/h4-6,8-15,18,21,28H,7,16-17,20,32H2,1-3H3