3-[bis(2-oxidanylpropyl)amino]-7-ethyl-1-(furan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

Systemtic Name: 3-[bis(2-oxidanylpropyl)amino]-7-ethyl-1-(furan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Openeye Name: 3-[bis(2-hydroxypropyl)amino]-7-ethyl-1-(2-furylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile CAS Name: 3-[bis(2-hydroxypropyl)amino]-7-ethyl-1-(2-furanylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile IUPAC Name: 3-[bis(2-hydroxypropyl)amino]-7-ethyl-1-(furan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Traditional Name: 3-[bis(2-hydroxypropyl)amino]-7-ethyl-1-(2-furfurylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C(=NC(=C2C1)NCC3=CC=CO3)N(CC(C)O)CC(C)O)C#N

Isomeric SMILES

CCN1CCC2=C(C(=NC(=C2C1)NCC3=CC=CO3)N(CC(C)O)CC(C)O)C#N

InChI

InChI=1S/C22H31N5O3/c1-4-26-8-7-18-19(10-23)22(27(12-15(2)28)13-16(3)29)25-21(20(18)14-26)24-11-17-6-5-9-30-17/h5-6,9,15-16,28-29H,4,7-8,11-14H2,1-3H3,(H,24,25)