2-azanyl-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)CCC)N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)CCC)N)C#N

InChI

InChI=1S/C26H35N3O/c1-3-5-6-7-8-16-30-21-13-11-20(12-14-21)25-22-17-19(9-4-2)10-15-24(22)29-26(28)23(25)18-27/h11-14,19H,3-10,15-17H2,1-2H3,(H2,28,29)