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

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C

InChI

InChI=1S/C27H31N5O2/c1-4-14-32(18-20-8-13-25-24(16-20)27(34)30-19(3)29-25)22-11-9-21(10-12-22)26(33)28-17-23-7-6-15-31(23)5-2/h1,8-13,16,23H,5-7,14-15,17-18H2,2-3H3,(H,28,33)(H,29,30,34)