N1,N1-bis[5-[(5-azanyl-5-azanylidene-pentyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methyl-benzene-1,4-dicarboxamide

Systemtic Name: N1,N1-bis[5-[(5-azanyl-5-azanylidene-pentyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methyl-benzene-1,4-dicarboxamide Openeye Name: N1,N1-bis[5-[(5-amino-5-imino-pentyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]-2-methyl-terephthalamide CAS Name: N1,N1-bis[5-[[(5-amino-5-iminopentyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]-2-methylbenzene-1,4-dicarboxamide IUPAC Name: 1-N,1-N-bis[5-[(5-amino-5-iminopentyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methylbenzene-1,4-dicarboxamide Traditional Name: N,N-bis[5-[(5-amino-5-imino-pentyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]-2-methyl-terephthalamide Formula: C39H58N10O4 MolecularWeight: 730.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C(=O)N(C2=CN(C(=C2)C(=O)NCCCCC(=N)N)CCC(C)C)C3=CN(C(=C3)C(=O)NCCCCC(=N)N)CCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C(=O)N(C2=CN(C(=C2)C(=O)NCCCCC(=N)N)CCC(C)C)C3=CN(C(=C3)C(=O)NCCCCC(=N)N)CCC(C)C

InChI

InChI=1S/C39H58N10O4/c1-25(2)14-18-47-23-29(21-32(47)37(51)45-16-8-6-10-34(40)41)49(39(53)31-13-12-28(36(44)50)20-27(31)5)30-22-33(48(24-30)19-15-26(3)4)38(52)46-17-9-7-11-35(42)43/h12-13,20-26H,6-11,14-19H2,1-5H3,(H3,40,41)(H3,42,43)(H2,44,50)(H,45,51)(H,46,52)