1-(8,12-diethyl-7,13-dimethyl-21,24-dihydrocorrin-10-ylidene)-N,N-dimethyl-methanamine

Systemtic Name: 1-(8,12-diethyl-7,13-dimethyl-21,24-dihydrocorrin-10-ylidene)-N,N-dimethyl-methanamine Openeye Name: 1-(8,12-diethyl-7,13-dimethyl-21,24-dihydrocorrin-10-ylidene)-N,N-dimethyl-methanamine CAS Name: 1-(8,12-diethyl-7,13-dimethyl-21,24-dihydrocorrin-10-ylidene)-N,N-dimethylmethanamine IUPAC Name: 1-(8,12-diethyl-7,13-dimethyl-21,24-dihydrocorrin-10-ylidene)-N,N-dimethylmethanamine Traditional Name: (8,12-diethyl-7,13-dimethyl-21,24-dihydrocorrin-10-ylidene)methyl-dimethyl-amine Formula: C28H31N5 MolecularWeight: 437.57924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=CC=C(N3)C4=CC=C(N4)C=C5C(=C(C(=N5)C(=CN(C)C)C1=N2)CC)C)C

Isomeric SMILES

CCC1=C(C2=CC3=CC=C(N3)C4=CC=C(N4)C=C5C(=C(C(=N5)C(=CN(C)C)C1=N2)CC)C)C

InChI

InChI=1S/C28H31N5/c1-7-20-16(3)25-13-18-9-11-23(29-18)24-12-10-19(30-24)14-26-17(4)21(8-2)28(32-26)22(15-33(5)6)27(20)31-25/h9-15,29-30H,7-8H2,1-6H3