N-(3-ethynylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-(3-ethynylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-(3-ethynylphenyl)-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-(3-ethynylphenyl)-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-(3-ethynylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-(3-ethynylphenyl)-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C20H21N3O2/c1-4-15-6-5-7-18(12-15)23-19(24)17-10-8-16(9-11-17)13-21-20(25)22-14(2)3/h1,5-12,14H,13H2,2-3H3,(H,23,24)(H2,21,22,25)