N-(3-bromanyl-4-methyl-1,2-oxazol-5-yl)-4-(propylamino)-5,10-dihydrocyclohepta[b]indole-7-carboxamide; (E)-3-phenylprop-2-enoic acid

Systemtic Name: N-(3-bromanyl-4-methyl-1,2-oxazol-5-yl)-4-(propylamino)-5,10-dihydrocyclohepta[b]indole-7-carboxamide; (E)-3-phenylprop-2-enoic acid Openeye Name: N-(3-bromo-4-methyl-isoxazol-5-yl)-4-(propylamino)-5,10-dihydrocyclohepta[b]indole-7-carboxamide; (E)-3-phenylprop-2-enoic acid CAS Name: N-(3-bromo-4-methyl-5-isoxazolyl)-4-(propylamino)-5,10-dihydrocyclohepta[b]indole-7-carboxamide; (E)-3-phenyl-2-propenoic acid IUPAC Name: N-(3-bromo-4-methyl-1,2-oxazol-5-yl)-4-(propylamino)-5,10-dihydrocyclohepta[b]indole-7-carboxamide; (E)-3-phenylprop-2-enoic acid Traditional Name: N-(3-bromo-4-methyl-isoxazol-5-yl)-4-(propylamino)-5,10-dihydrocyclohept[b]indole-7-carboxamide; (E)-3-phenylacrylic acid Formula: C30H29BrN4O4 MolecularWeight: 589.47966

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC2=C1NC3=C2CC=CC(=C3)C(=O)NC4=C(C(=NO4)Br)C.C1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCNC1=CC=CC2=C1NC3=C2CC=CC(=C3)C(=O)NC4=C(C(=NO4)Br)C.C1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C21H21BrN4O2.C9H8O2/c1-3-10-23-16-9-5-8-15-14-7-4-6-13(11-17(14)24-18(15)16)20(27)25-21-12(2)19(22)26-28-21;10-9(11)7-6-8-4-2-1-3-5-8/h4-6,8-9,11,23-24H,3,7,10H2,1-2H3,(H,25,27);1-7H,(H,10,11)/b;7-6+