2-(3-phenoxypropylamino)-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(3-phenoxypropylamino)-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-allyloxy-2-(3-phenoxypropylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(3-phenoxypropylamino)-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(3-phenoxypropylamino)-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-allyloxy-2-(3-phenoxypropylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C27H29N5O2 MolecularWeight: 455.55146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=NC(=NC(=C1C#N)N2CCC3=CC=CC=C3CC2)NCCCOC4=CC=CC=C4

Isomeric SMILES

C=CCOC1=NC(=NC(=C1C#N)N2CCC3=CC=CC=C3CC2)NCCCOC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O2/c1-2-18-34-26-24(20-28)25(32-16-13-21-9-6-7-10-22(21)14-17-32)30-27(31-26)29-15-8-19-33-23-11-4-3-5-12-23/h2-7,9-12H,1,8,13-19H2,(H,29,30,31)