4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCCCN4CCCCCC4=O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCCCN4CCCCCC4=O

InChI

InChI=1S/C29H33N5O3/c1-3-16-34(20-22-9-14-26-25(19-22)29(37)32-21(2)31-26)24-12-10-23(11-13-24)28(36)30-15-7-18-33-17-6-4-5-8-27(33)35/h1,9-14,19H,4-8,15-18,20H2,2H3,(H,30,36)(H,31,32,37)