4-cyclopentyl-1-(phenylmethyl)-3-prop-1-ynyl-isoquinoline

Systemtic Name: 4-cyclopentyl-1-(phenylmethyl)-3-prop-1-ynyl-isoquinoline Openeye Name: 1-benzyl-4-cyclopentyl-3-prop-1-ynyl-isoquinoline CAS Name: 4-cyclopentyl-1-(phenylmethyl)-3-prop-1-ynylisoquinoline IUPAC Name: 1-benzyl-4-cyclopentyl-3-prop-1-ynylisoquinoline Traditional Name: 1-benzyl-4-cyclopentyl-3-prop-1-ynyl-isoquinoline Formula: C24H23N MolecularWeight: 325.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CC#CC1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C24H23N/c1-2-10-22-24(19-13-6-7-14-19)21-16-9-8-15-20(21)23(25-22)17-18-11-4-3-5-12-18/h3-5,8-9,11-12,15-16,19H,6-7,13-14,17H2,1H3