1-[5-(aziridin-1-yl)pentoxy]isoquinoline

Systemtic Name: 1-[5-(aziridin-1-yl)pentoxy]isoquinoline Openeye Name: 1-[5-(aziridin-1-yl)pentoxy]isoquinoline CAS Name: 1-[5-(1-aziridinyl)pentoxy]isoquinoline IUPAC Name: 1-[5-(aziridin-1-yl)pentoxy]isoquinoline Traditional Name: 1-(5-ethyleniminopentoxy)isoquinoline Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCCCCOC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1CN1CCCCCOC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C16H20N2O/c1(4-10-18-11-12-18)5-13-19-16-15-7-3-2-6-14(15)8-9-17-16/h2-3,6-9H,1,4-5,10-13H2