4-(azidomethyl)-1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinoline

Systemtic Name: 4-(azidomethyl)-1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinoline Openeye Name: 4-(azidomethyl)-6,7-dimethoxy-1-[(3-sec-butoxyphenyl)methyl]isoquinoline CAS Name: 4-(azidomethyl)-1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinoline IUPAC Name: 4-(azidomethyl)-1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinoline Traditional Name: 4-(azidomethyl)-6,7-dimethoxy-1-(3-sec-butoxybenzyl)isoquinoline Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CN=[N+]=[N-]

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CN=[N+]=[N-]

InChI

InChI=1S/C23H26N4O3/c1-5-15(2)30-18-8-6-7-16(9-18)10-21-20-12-23(29-4)22(28-3)11-19(20)17(13-25-21)14-26-27-24/h6-9,11-13,15H,5,10,14H2,1-4H3