2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(7-methylquinazolin-4-yl)hexane-1,6-diamine

Systemtic Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(7-methylquinazolin-4-yl)hexane-1,6-diamine Openeye Name: 2-[(E)-2-(4-chlorophenyl)vinyl]-1-(7-methylquinazolin-4-yl)hexane-1,6-diamine CAS Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(7-methyl-4-quinazolinyl)hexane-1,6-diamine IUPAC Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(7-methylquinazolin-4-yl)hexane-1,6-diamine Traditional Name: [(E)-2-(4-aminobutyl)-4-(4-chlorophenyl)-1-(7-methylquinazolin-4-yl)but-3-enyl]amine Formula: C23H27ClN4 MolecularWeight: 394.94028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC=N2)C(C(CCCCN)C=CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC=N2)C(C(CCCCN)/C=C/C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C23H27ClN4/c1-16-5-12-20-21(14-16)27-15-28-23(20)22(26)18(4-2-3-13-25)9-6-17-7-10-19(24)11-8-17/h5-12,14-15,18,22H,2-4,13,25-26H2,1H3/b9-6+