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

Systemtic Name: 4-[(3-bromophenyl)amino]-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3-bromoanilino)-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Formula: C16H14BrN3 MolecularWeight: 328.20646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)NC=C(C2NC3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC2C(C=C1)NC=C(C2NC3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C16H14BrN3/c17-12-4-3-5-13(8-12)20-16-11(9-18)10-19-15-7-2-1-6-14(15)16/h1-8,10,14-16,19-20H