(3S)-3-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]azepan-2-one

Systemtic Name: (3S)-3-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]azepan-2-one Openeye Name: (3S)-3-[[5-(2-naphthyl)-1,2,4-triazin-3-yl]amino]azepan-2-one CAS Name: (3S)-3-[[5-(2-naphthalenyl)-1,2,4-triazin-3-yl]amino]-2-azepanone IUPAC Name: (3S)-3-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]azepan-2-one Traditional Name: (3S)-3-[[5-(2-naphthyl)-1,2,4-triazin-3-yl]amino]azepan-2-one Formula: C19H19N5O MolecularWeight: 333.38706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=NC(=CN=N2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC2=NC(=CN=N2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H19N5O/c25-18-16(7-3-4-10-20-18)22-19-23-17(12-21-24-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,16H,3-4,7,10H2,(H,20,25)(H,22,23,24)/t16-/m0/s1