2-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynamide

Systemtic Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynamide Openeye Name: 2-[4-(1-isoquinolylmethyl)phenyl]pent-4-ynamide CAS Name: 2-[4-(1-isoquinolinylmethyl)phenyl]-4-pentynamide IUPAC Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynamide Traditional Name: 2-[4-(1-isoquinolylmethyl)phenyl]pent-4-ynamide Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)N

Isomeric SMILES

C#CCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C21H18N2O/c1-2-5-19(21(22)24)17-10-8-15(9-11-17)14-20-18-7-4-3-6-16(18)12-13-23-20/h1,3-4,6-13,19H,5,14H2,(H2,22,24)