6-(4-tert-butylphenyl)-7-(phenylmethyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

Systemtic Name: 6-(4-tert-butylphenyl)-7-(phenylmethyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline Openeye Name: 7-benzyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline CAS Name: 6-(4-tert-butylphenyl)-7-(phenylmethyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline IUPAC Name: 7-benzyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline Traditional Name: 7-benzyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimid[2,1-a]isoquinoline Formula: C29H30N2 MolecularWeight: 406.5619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C4=NCCCN24)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C4=NCCCN24)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N2/c1-29(2,3)23-16-14-22(15-17-23)27-26(20-21-10-5-4-6-11-21)24-12-7-8-13-25(24)28-30-18-9-19-31(27)28/h4-8,10-17H,9,18-20H2,1-3H3