2-[(3-bromophenyl)amino]-7-ethoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(3-bromophenyl)amino]-7-ethoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(3-bromoanilino)-7-ethoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(3-bromoanilino)-7-ethoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(3-bromoanilino)-7-ethoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(3-bromoanilino)-7-ethoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Formula: C18H18BrN3O MolecularWeight: 372.25902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2C(CC(=C(N2)NC3=CC(=CC=C3)Br)C#N)C=C1

Isomeric SMILES

CCOC1=CC2C(CC(=C(N2)NC3=CC(=CC=C3)Br)C#N)C=C1

InChI

InChI=1S/C18H18BrN3O/c1-2-23-16-7-6-12-8-13(11-20)18(22-17(12)10-16)21-15-5-3-4-14(19)9-15/h3-7,9-10,12,17,21-22H,2,8H2,1H3