3-(3-oxidanylpropylamino)-7-(phenylmethyl)-1-[(phenylmethyl)amino]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

Systemtic Name: 3-(3-oxidanylpropylamino)-7-(phenylmethyl)-1-[(phenylmethyl)amino]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Openeye Name: 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile CAS Name: 3-(3-hydroxypropylamino)-7-(phenylmethyl)-1-[(phenylmethyl)amino]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile IUPAC Name: 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Traditional Name: 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N=C(C(=C21)C#N)NCCCO)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C(N=C(C(=C21)C#N)NCCCO)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O/c27-16-23-22-12-14-31(18-21-10-5-2-6-11-21)19-24(22)26(30-25(23)28-13-7-15-32)29-17-20-8-3-1-4-9-20/h1-6,8-11,32H,7,12-15,17-19H2,(H2,28,29,30)