N-(3-bromophenyl)-7-(3-imidazol-1-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine

Systemtic Name: N-(3-bromophenyl)-7-(3-imidazol-1-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine Openeye Name: N-(3-bromophenyl)-7-(3-imidazol-1-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine CAS Name: N-(3-bromophenyl)-7-[3-(1-imidazolyl)propoxy]-1,4,4a,8a-tetrahydroquinazolin-2-amine IUPAC Name: N-(3-bromophenyl)-7-(3-imidazol-1-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine Traditional Name: (3-bromophenyl)-[7-(3-imidazol-1-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-yl]amine Formula: C20H22BrN5O MolecularWeight: 428.32558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(=CC2NC(=N1)NC3=CC(=CC=C3)Br)OCCCN4C=CN=C4

Isomeric SMILES

C1C2C=CC(=CC2NC(=N1)NC3=CC(=CC=C3)Br)OCCCN4C=CN=C4

InChI

InChI=1S/C20H22BrN5O/c21-16-3-1-4-17(11-16)24-20-23-13-15-5-6-18(12-19(15)25-20)27-10-2-8-26-9-7-22-14-26/h1,3-7,9,11-12,14-15,19H,2,8,10,13H2,(H2,23,24,25)