1-(1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline

Systemtic Name: 1-(1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline Openeye Name: 1-(1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline CAS Name: 1-(1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline IUPAC Name: 1-(1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline Traditional Name: 1-(1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCNCC4

InChI

InChI=1S/C21H23N3O/c1-25-18-9-7-16(8-10-18)20-15-17-5-2-3-6-19(17)21(23-20)24-13-4-11-22-12-14-24/h2-3,5-10,15,22H,4,11-14H2,1H3