4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-bis(prop-2-enoxymethyl)butyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-bis(prop-2-enoxymethyl)butyl]benzamide Openeye Name: N-[2,2-bis(allyloxymethyl)-1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]butyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-2,2-bis(prop-2-enoxymethyl)butyl]benzamide IUPAC Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-bis(prop-2-enoxymethyl)butyl]benzamide Traditional Name: N-[2,2-bis(allyloxymethyl)-1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]butyl]-4-chloro-benzamide Formula: C26H31ClN6O3 MolecularWeight: 511.01574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC=C)(COCC=C)C(NC(=O)C1=CC=C(C=C1)Cl)N=C(NC#N)NC2=CN=CC=C2

Isomeric SMILES

CCC(COCC=C)(COCC=C)C(NC(=O)C1=CC=C(C=C1)Cl)/N=C(/NC#N)\NC2=CN=CC=C2

InChI

InChI=1S/C26H31ClN6O3/c1-4-14-35-17-26(6-3,18-36-15-5-2)24(32-23(34)20-9-11-21(27)12-10-20)33-25(30-19-28)31-22-8-7-13-29-16-22/h4-5,7-13,16,24H,1-2,6,14-15,17-18H2,3H3,(H,32,34)(H2,30,31,33)